UCSF

ZINC62983616

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 2.43 -46.92 2 6 1 75 320.46 5
Hi High (pH 8-9.5) 1.04 0.28 -9.76 1 6 0 73 319.452 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.